CABS-dock: cf25684a18b89f3

Project name: cf25684a18b89f3

Status: done

submitted: 2025-10-09 22:56:36, status changed: 2025-10-10 04:10:55

Project settings

Protein sequence(s)	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRTEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL input pdb
Peptide sequence	RSKRP
Simulation mc cycles	50
Peptide secondary structure psipred	CCCCC

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Zoom/rotate predicted model of the complex using mouse. Click the "View" button on the right panel to load the appropriate model. View in JSmol (pure html5/js) if you got rendering problems.

Models are ranked and numbered according to their occurrence in docking trajectory (1 = most probable result).

Representative conformations

	model_1		Download
	model_2		Download
	model_3		Download
	model_4		Download
	model_5		Download
	model_6		Download
	model_7		Download
	model_8		Download
	model_9		Download
	model_10		Download

Download all files

Click the "View" button to load the contact map of appropriate model.

Representative conformations

Contact cutoff (Å)

	model_1	View
	model_2	View
	model_3	View
	model_4	View
	model_5	View
	model_6	View
	model_7	View
	model_8	View
	model_9	View
	model_10	View

Receptor residue	Peptide residue

Receptor residue	Peptide residue

Receptor residue	Peptide residue

Select trajectory from the right panel to display animation in JSmol. Note that it may hangs browser window for few minutes or ever.

Trajectories

	replica_1		Download
	replica_2		Download
	replica_3		Download
	replica_4		Download
	replica_5		Download
	replica_6		Download
	replica_7		Download
	replica_8		Download
	replica_9		Download
	replica_10		Download

Selected model: model_1.pdb (most representative model of the best cluster) download the model

Details about clusters

cluster name	cluster density	average rmsd	max rmsd	number of elements
cluster_1.pdb ( medoid)	80.8886	3.43682	23.7349	278
cluster_2.pdb ( medoid)	27.499	4.03651	17.283	111
cluster_3.pdb ( medoid)	26.2551	4.11348	11.8688	108
cluster_4.pdb ( medoid)	13.8023	10.3606	31.6386	143
cluster_5.pdb ( medoid)	7.93002	10.3404	38.3233	82
cluster_6.pdb ( medoid)	6.9167	9.54212	27.9547	66
cluster_7.pdb ( medoid)	6.79007	10.8983	33.5819	74
cluster_8.pdb ( medoid)	5.70512	11.0427	35.4001	63
cluster_9.pdb ( medoid)	3.6902	10.5685	38.1319	39
cluster_10.pdb ( medoid)	2.72642	13.2041	35.7663	36